Materials Literature
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The systematic analysis of high-resolution NMR data, bond lengths, and isotropic ${}^{13}\mathrm{C}$ chemical shifts of crystals of squaric acid ( ${\mathrm{H}}_{2}\mathrm{SQ}$) and its deuterated compound ( ${\mathrm{D}}_{2}\mathrm{SQ}$) yields convincing evidence that order-disorder and displacive features coexist a…
The basic formulation of the quantum mechanical/molecular mechanical (QM/MM) methodology is presented. Critical issues related to running a QM/MM calculation are described and the future prospects of this methodology are discussed in detail.
The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by determining its potential parameters in order to reproduce the ferroelectric instabil…
Highly oriented, multiwalled carbon nanotubes were grown on polished polycrystalline and single crystal nickel substrates by plasma enhanced hot filament chemical vapor deposition at temperatures below 666 °C. The carbon nanotubes range from 10 to 500 nm in diameter and 0.1 to 50 μm in length depending on growth condi…
We report the effect of metal-island size variation in nanoparticle-enhanced photodetectors. Nanoparticle size was controlled by varying the deposition and annealing conditions used to produce the metal-island films. Increasing the size of silver-island particles fabricated onto 165 nm thick silicon-on-insulator (SOI)…
The mechanical behavior of multiwalled carbon nanotube/epoxy composites was studied in both tension and compression. It was found that the compression modulus is higher than the tensile modulus, indicating that load transfer to the nanotubes in the composite is much higher in compression. In addition, it was found tha…
The gigantic reduction of the electric resistivity under the applied magnetic field, CMR effect, is now widely accepted to appear in the vicinity of the insulator to metal transition of the perovskite manganites. Recently, we have discovered the first order transition from ferromagnetic metal to insulator in $\rm La_{…
A systematic study of the electronic structure in perovskite manganites is presented. The effective Hamiltonian is derived by taking into account the degeneracy of $e_g$ orbitals and strong electron correlation in Mn ions. The spin and orbital orderings are examined as functions of carrier concentration in the mean-fi…
In this work, we prepared the interpenetrating polymer networks of bismaleimide and polyether-type polyurethane(polyoxypropylene)–crosslinked epoxy (BMI/PU(PPG)–EP IPNs) by employing the simultaneous bulk polymerization technique. The polyurethane (PU)–crosslinked epoxy was identified via infrared (IR) spectra analysi…
Butanetetracarboxylic acid (BTCA) has been used as the most effective nonformaldehyde crosslinking agent for cotton and wood pulp cellulose. Our previous research has indicated that a polycarboxylic acid esterifies cellulose in two steps: the formation of a five-membered cyclic anhydride intermediate by the dehydratio…
Melting of acrylonitrile polymers (which have a tendency to degrade before melting) was detected during their heat treatments at high heating rates (i.e., 80°C min−1 or above). The probable reason for their melting at such higher heating rates is discussed. The melting behavior of acrylonitrile polymers was also studi…
Oil palm empty fruit bunch–polypropylene (EFB–PP) composites were produced by employing 2 types of compounding techniques, that is, an internal mixer and a single-screw extruder. The mechanical and water absorption properties of both types of composites were investigated. Overall, for both types of composites, the inc…
The yield conditions for the displacement of three-dimensional fluid droplets from solid boundaries are studied through a series of numerical computations. The study considers low-Reynolds-number shear flows over plane boundaries and includes interfacial forces with constant surface tension. A comprehensive study is c…
Bulk, silica-, and zirconia−silica-supported 12-molybdophosphoric acid (HPMo) catalysts have been characterized by 31 P and 1 H-magic angle spinning NMR spectroscopy, X-ray photoelectron spectroscopy and Fourier transform infrared (FTIR) spectroscopy of pyridine adsorption. Two species, bound to the support surface an…
Nanocomposite films of gold nanoparticles and TiO2 gel have been successfully prepared by combination of a surface sol−gel technique and layer-by-layer assembly. Thanks to surface hydroxyl groups of gold nanoperticles, gold particles were deposited as close-packed monolayers on TiO2 gel layers. The resulting nanocompo…
We have synthesized Mn-doped and Tb-doped ZnS nanoclusters within the microphase-separated films of diblock copolymers containing carboxylic acid units on one of the blocks. The loading of metal ions can be monitored using inductively coupled plasma atomic emission spectroscopy. The impurity ion content of the acid-co…
This work contributes to the study of aroma transfers through edible and plastic packaging films. Permeability, sorption, and diffusivity of three methyl ketones (2-heptanone, 2-octanone, and 2-nonanone) in and through low-density polyethylene and methylcellulose-based edible films have been determined. Permeability w…
A short review of correlated electrons in molecular systems has been performed. Main attention has been focussed on ET salts, which are the d=2 systems. They show the Mott transition in high temperatures and the transition from the antiferromagnetic to the superconducting phase in low temperatures, under a (chemical)…
We study the dynamics of cracks in brittle materials when the velocity of the crack is comparable to the sound velocity by means of lattice simulations. Inertial and damped dynamics are analyzed. It is shown that dissipation strongly influences the shape of the crack. While inertial cracks are highly unstable, dissipa…
Formation and interconversion of cobalt hydroxides have been investigated with XRD, FTIR, and compositional analysis. Effects of addition time, aging time, and preparative atmosphere on phase transformation and materials synthesis in ammoniacal solution have been systematically examined. A new precursor phase with hyd…